Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.46 |
| ▸ | CTSD | P07339 | 2/20 | 0.43 |
| ▸ | CASP3 | P42574 | 2/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | ECE1 | P42892 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | MME | P08473 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | CASP6 | P55212 | 1/20 | 0.39 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7299990 | 0.87 | CA2 (0.48) | CYP3A4CTSDCASP3CTSBCTSS | |
| SCHEMBL7299914 | 0.86 | CASP3 (0.49) | CYP3A4CTSDCASP3CASP1CASP7 | |
| SCHEMBL7306108 | 0.86 | CTSD (0.55) | CTSDCASP3CTSBCTSSCTSK | |
| SCHEMBL7295829 | 0.84 | CYP3A4 (0.43) | CYP3A4CTSDCASP3CTSBCTSS | |
| SCHEMBL7304710 | 0.79 | CTSL (0.47) | CYP3A4CTSDCASP3CTSBCTSS | |
| SCHEMBL7303071 | 0.78 | TYR (0.46) | CTSBCTSSCTSKECE1MME | |
| SCHEMBL7298552 | 0.78 | TYR (0.46) | CTSBCTSSCTSKECE1MME | |
| SCHEMBL8669118 | 0.78 | CTSD (0.49) | CTSDCASP3CTSBCTSSCTSK | |
| SCHEMBL7330521 | 0.77 | CTSD (0.49) | CYP3A4CTSDCASP3CTSBCTSS | |
| SCHEMBL7307873 | 0.76 | MEN1 (0.41) | CTSBCTSSCTSK |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0575097-B1 | 2,3-Bis-carboxamidomethyl substituted oxiranes as inhibitors of HIV protease and their use for the treatment of AIDS | LILLY CO ELI (US) | 2000-11-02 | — | — | EP | disclosed |
| US-5578608-A | HIV PROTEASE INHIBITOR | ELI LILLY AND COMPANY (US) | 1996-11-26 | — | — | US | disclosed |
| EP-0575097-A1 | 2,3-Bis-carboxamidomethyl substituted oxiranes as inhibitors of HIV protease and their use for the treatment of AIDS | ELI LILLY AND COMPANY (US) | 1993-12-22 | — | — | EP | disclosed |